#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7t n GLY 2 N 0.00 -0.68 3.67 -1.23 0.00 -1.26 -5.12 105.19 100.58 2b7t n GLY 2 Ca 0.00 0.10 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 2b7t n GLY 2 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2b7t n PRO 3 N -3.01 1.95 -0.75 1.61 -0.02 -1.26 -4.85 135.00 128.67 2b7t n PRO 3 Ca 0.00 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 2b7t n PRO 3 Cb 0.00 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 30.87 2b7t n PRO 3 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2b7t n VAL 4 N 4.18 2.26 -4.22 -1.45 0.24 -1.26 -4.43 118.33 113.64 2b7t n VAL 4 Ca 0.20 -1.14 -0.13 0.00 -2.04 0.00 0.00 64.34 61.24 2b7t n VAL 4 Cb 0.26 -1.89 -0.10 0.00 -1.47 0.00 0.00 33.84 30.65 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2b7t s LEU 5 N 0.00 2.40 -0.91 1.34 1.43 -1.26 -5.07 118.68 116.61 2b7t s LEU 5 Ca 0.50 -1.06 -0.33 0.00 -1.03 0.00 0.00 54.13 52.21 2b7t s LEU 5 Cb 0.23 -0.15 -0.21 0.00 0.03 0.00 0.00 46.19 46.09 2b7t s LEU 5 CO -0.00 -0.46 2.60 -2.65 0.23 0.00 0.00 176.35 176.07 2b7t n PRO 6 N -0.15 0.00 -0.88 1.29 -0.02 -1.26 -4.32 135.00 129.66 2b7t n PRO 6 Ca -0.10 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 2b7t n PRO 6 Cb 0.61 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.56 2b7t n PRO 6 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2b7t n LYS 7 N 8.32 -1.84 -0.22 -0.52 4.81 -1.26 -1.53 118.16 125.92 2b7t n LYS 7 Ca 0.64 1.30 0.28 0.00 -0.87 0.00 0.00 58.31 59.67 2b7t n LYS 7 Cb 0.02 -2.22 0.69 0.00 0.02 0.00 0.00 35.03 33.54 2b7t n LYS 7 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 2b7t h ASN 8 N -0.83 0.09 0.60 3.14 -1.07 -1.99 -2.38 115.58 113.15 2b7t h ASN 8 Ca -0.02 0.01 -0.03 0.00 0.07 0.00 0.00 56.30 56.33 2b7t h ASN 8 Cb 0.81 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.06 2b7t h ASN 8 CO 0.02 0.03 -0.31 0.00 0.07 0.00 0.00 177.43 177.23 2b7t h ALA 9 N 1.54 -1.20 -0.46 4.14 0.00 -1.94 -0.08 119.26 121.25 2b7t h ALA 9 Ca 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2b7t h ALA 9 Cb 1.73 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 2b7t h ALA 9 CO -0.05 -1.15 0.29 -0.07 0.00 0.00 0.00 179.25 178.27 2b7t h LEU 10 N -0.83 0.54 -0.78 0.00 -0.00 -0.81 -0.99 115.31 112.45 2b7t h LEU 10 Ca -0.08 -0.04 0.08 0.00 -0.00 0.00 0.00 57.88 57.84 2b7t h LEU 10 Cb 0.65 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 41.11 2b7t h LEU 10 CO 0.12 0.41 0.45 0.00 -0.00 0.00 0.00 178.44 179.42 2b7t h MET 11 N 0.61 0.76 0.04 1.13 -0.00 -1.55 -1.05 114.93 114.88 2b7t h MET 11 Ca 0.17 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 2b7t h MET 11 Cb -0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 31.38 2b7t h MET 11 CO -0.03 0.51 -0.13 0.37 -0.00 0.00 0.00 176.91 177.62 2b7t h GLN 12 N 0.79 -0.19 -0.12 -0.10 4.15 0.30 -0.64 115.11 119.28 2b7t h GLN 12 Ca 0.36 0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.62 2b7t h GLN 12 Cb 0.27 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 2b7t h GLN 12 CO -0.21 -0.13 -0.66 1.37 -1.93 0.00 0.00 178.83 177.27 2b7t h LEU 13 N -0.20 0.57 -1.59 -2.39 -0.00 -1.36 -1.60 115.31 108.74 2b7t h LEU 13 Ca -0.00 -0.35 0.01 0.00 -0.00 0.00 0.00 57.88 57.54 2b7t h LEU 13 Cb 0.20 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 2b7t h LEU 13 CO -0.07 1.08 0.28 -1.13 -0.00 0.00 0.00 178.44 178.60 2b7t h ASN 14 N 0.35 0.48 0.51 0.17 -0.00 -1.22 0.29 115.58 116.16 2b7t h ASN 14 Ca -0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.25 2b7t h ASN 14 Cb 1.23 -0.12 0.01 0.00 -0.00 0.00 0.00 38.32 39.43 2b7t h ASN 14 CO 0.12 0.34 -0.25 -0.33 -0.00 0.00 0.00 177.43 177.32 2b7t h GLU 15 N 0.56 -0.66 -0.87 6.67 5.08 -0.84 -2.57 114.58 121.96 2b7t h GLU 15 Ca 0.16 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2b7t h GLU 15 Cb -0.04 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2b7t h GLU 15 CO -0.04 -0.37 0.57 0.82 -1.00 0.00 0.00 179.01 178.99 2b7t h ILE 16 N -1.08 1.09 -2.35 3.13 2.04 -1.08 -3.36 117.51 115.89 2b7t h ILE 16 Ca -0.07 -0.35 -0.54 0.00 1.00 0.00 0.00 64.86 64.90 2b7t h ILE 16 Cb 0.60 -0.01 -0.37 0.00 -0.74 0.00 0.00 36.82 36.30 2b7t h ILE 16 CO 0.12 0.18 -0.86 -0.54 0.00 0.00 0.00 178.15 177.05 2b7t s LYS 17 N -5.88 0.71 -0.21 2.37 -0.14 0.98 -5.05 119.74 112.52 2b7t s LYS 17 Ca -0.11 -1.54 -0.05 0.00 -1.36 0.00 0.00 55.97 52.91 2b7t s LYS 17 Cb 0.19 -1.21 -0.18 0.00 -1.68 0.00 0.00 37.83 34.95 2b7t s LYS 17 CO 0.79 -1.28 2.84 -0.35 -0.76 0.00 0.00 175.35 176.60 2b7t n PRO 18 N 3.59 1.76 -2.67 -1.68 -0.04 -0.97 -3.88 135.00 131.12 2b7t n PRO 18 Ca 0.19 -0.95 -0.04 0.00 -0.04 0.00 0.00 63.50 62.66 2b7t n PRO 18 Cb 0.43 -2.01 0.02 0.00 -0.04 0.00 0.00 33.50 31.90 2b7t n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b7t n GLY 19 N 2.79 -0.40 3.89 0.55 0.00 -1.26 -5.11 105.19 105.65 2b7t n GLY 19 Ca 0.38 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 2b7t n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b7t s LEU 20 N -2.27 4.30 -0.26 0.99 1.02 -1.25 -4.88 118.68 116.33 2b7t s LEU 20 Ca 0.09 0.58 0.03 0.00 0.02 0.00 0.00 54.13 54.84 2b7t s LEU 20 Cb 0.15 -3.16 0.06 0.00 0.02 0.00 0.00 46.19 43.26 2b7t s LEU 20 CO -0.05 0.10 -0.10 -1.10 0.02 0.00 0.00 176.35 175.23 2b7t s GLN 21 N -2.45 2.13 -0.14 1.70 1.11 -0.77 -4.91 119.66 116.34 2b7t s GLN 21 Ca 0.38 -1.32 -0.06 0.00 0.01 0.00 0.00 55.36 54.37 2b7t s GLN 21 Cb -0.13 -2.86 -0.04 0.00 -1.01 0.00 0.00 33.01 28.97 2b7t s GLN 21 CO 0.23 -0.59 0.07 0.71 0.01 0.00 0.00 175.29 175.72 2b7t s TYR 22 N 1.13 3.33 -0.01 0.91 1.51 -1.26 -0.67 117.35 122.28 2b7t s TYR 22 Ca -0.08 0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 2b7t s TYR 22 Cb -0.20 -1.96 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 2b7t s TYR 22 CO -0.05 0.41 -0.08 1.41 -1.11 0.00 0.00 175.55 176.13 2b7t s MET 23 N -0.39 0.73 -0.13 -0.62 1.75 0.15 -4.99 119.30 115.80 2b7t s MET 23 Ca 0.09 -0.27 -0.03 0.00 -1.25 0.00 0.00 55.69 54.23 2b7t s MET 23 Cb -0.12 -0.70 -0.03 0.00 2.84 0.00 0.00 34.83 36.82 2b7t s MET 23 CO 0.02 0.14 -0.02 -1.17 -0.65 0.00 0.00 175.02 173.33 2b7t s LEU 24 N -0.00 3.40 0.10 4.11 2.96 -1.26 -0.75 118.68 127.24 2b7t s LEU 24 Ca 0.00 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2b7t s LEU 24 Cb -0.05 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2b7t s LEU 24 CO -0.00 0.25 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.43 2b7t s LEU 25 N -0.11 2.43 0.14 -0.68 2.01 0.62 -5.00 118.68 118.08 2b7t s LEU 25 Ca 0.03 -0.85 -0.30 0.00 0.01 0.00 0.00 54.13 53.02 2b7t s LEU 25 Cb -0.13 -0.25 -0.07 0.00 0.01 0.00 0.00 46.19 45.75 2b7t s LEU 25 CO 0.02 -0.30 0.99 -0.94 1.01 0.00 0.00 176.35 177.13 2b7t s SER 26 N -2.57 7.47 0.28 2.29 1.04 -1.26 -1.85 113.70 119.09 2b7t s SER 26 Ca 0.07 1.88 -0.30 0.00 0.48 0.00 0.00 55.95 58.07 2b7t s SER 26 Cb -0.01 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.39 2b7t s SER 26 CO -0.01 -0.07 1.57 1.67 0.98 0.00 0.00 173.24 177.38 2b7t n GLN 27 N 2.55 2.59 -0.60 4.02 0.00 -1.26 -4.65 117.38 120.03 2b7t n GLN 27 Ca 0.02 0.92 0.00 0.00 -0.00 0.00 0.00 57.00 57.94 2b7t n GLN 27 Cb 0.48 -2.69 0.00 0.00 0.00 0.00 0.00 30.24 28.03 2b7t n GLN 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2b7t n THR 28 N 2.26 0.00 0.00 1.69 5.66 -0.18 -4.96 114.28 118.75 2b7t n THR 28 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2b7t n THR 28 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 2b7t n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b7t n GLY 29 N 0.75 0.49 1.52 1.09 0.00 -1.26 -0.43 105.19 107.35 2b7t n GLY 29 Ca 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 2b7t n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b7t n PRO 30 N -1.24 1.36 0.00 1.61 -0.04 -1.26 -4.85 135.00 130.58 2b7t n PRO 30 Ca 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2b7t n PRO 30 Cb 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2b7t n PRO 30 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2b7t n VAL 31 N 0.56 0.00 1.52 0.52 0.31 -1.26 -4.52 118.33 115.45 2b7t n VAL 31 Ca 0.15 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.62 2b7t n VAL 31 Cb 0.65 0.00 0.62 0.00 -0.91 0.00 0.00 33.84 34.20 2b7t n VAL 31 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b7t n HIS 32 N 0.00 0.00 -3.10 3.52 1.44 -1.26 -4.47 115.22 111.35 2b7t n HIS 32 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 2b7t n HIS 32 Cb 0.00 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 29.97 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b7t n ALA 33 N -0.61 1.00 -1.70 1.59 0.00 -1.26 -5.13 120.51 114.40 2b7t n ALA 33 Ca 0.17 -2.42 -0.58 0.00 0.00 0.00 0.00 53.44 50.61 2b7t n ALA 33 Cb 0.28 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 2b7t n ALA 33 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2b7t n PRO 34 N 2.37 1.08 -4.09 0.00 -0.02 -1.26 -4.25 135.00 128.83 2b7t n PRO 34 Ca 0.22 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 2b7t n PRO 34 Cb 0.53 -2.06 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 2b7t n PRO 34 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2b7t s LEU 35 N 3.28 2.57 0.12 2.45 1.98 0.43 -3.45 118.68 126.07 2b7t s LEU 35 Ca 0.98 -0.91 0.06 0.00 -2.89 0.00 0.00 54.13 51.36 2b7t s LEU 35 Cb -1.09 -1.47 -0.04 0.00 0.66 0.00 0.00 46.19 44.25 2b7t s LEU 35 CO 0.65 -0.08 -0.02 -0.36 -1.89 0.00 0.00 176.35 174.66 2b7t s PHE 36 N 1.24 2.90 -0.05 5.38 0.40 -0.53 -1.01 117.98 126.31 2b7t s PHE 36 Ca -0.00 -0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 2b7t s PHE 36 Cb -0.16 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 2b7t s PHE 36 CO -0.10 0.48 -0.20 0.14 0.70 0.00 0.00 175.22 176.24 2b7t s VAL 37 N -1.43 1.67 -0.07 -0.44 -7.23 -0.77 -1.20 120.40 110.93 2b7t s VAL 37 Ca 0.25 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.62 2b7t s VAL 37 Cb -0.11 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 2b7t s VAL 37 CO 0.18 0.47 -0.21 -0.04 -0.31 0.00 0.00 175.10 175.19 2b7t s MET 38 N -0.05 2.67 -0.22 4.82 -1.94 -0.37 -0.28 119.30 123.93 2b7t s MET 38 Ca -0.03 -0.83 -0.17 0.00 -1.71 0.00 0.00 55.69 52.95 2b7t s MET 38 Cb -0.12 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 2b7t s MET 38 CO 0.03 0.41 0.44 -1.54 -0.01 0.00 0.00 175.02 174.35 2b7t s SER 39 N -0.22 6.45 -0.08 3.03 1.04 0.07 -1.23 113.70 122.77 2b7t s SER 39 Ca -0.01 0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.98 2b7t s SER 39 Cb -0.13 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 2b7t s SER 39 CO 0.03 -0.14 -0.18 0.54 0.98 0.00 0.00 173.24 174.46 2b7t s VAL 40 N 1.62 2.65 -0.21 5.02 0.11 0.17 -0.68 120.40 129.09 2b7t s VAL 40 Ca 0.20 -0.85 -0.06 0.00 -2.93 0.00 0.00 61.98 58.35 2b7t s VAL 40 Cb -0.15 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2b7t s VAL 40 CO 0.09 0.56 0.02 -0.70 -3.33 0.00 0.00 175.10 171.74 2b7t s GLU 41 N -0.19 3.68 -0.00 1.54 -6.30 0.15 -0.38 118.70 117.20 2b7t s GLU 41 Ca -0.01 -0.49 0.03 0.00 -2.50 0.00 0.00 54.97 52.00 2b7t s GLU 41 Cb -0.13 -3.14 -0.03 0.00 0.00 0.00 0.00 34.13 30.82 2b7t s GLU 41 CO 0.03 0.02 0.10 1.55 0.02 0.00 0.00 175.26 176.99 2b7t n VAL 42 N 4.25 0.00 -0.40 3.70 3.14 -0.84 -1.85 118.33 126.32 2b7t n VAL 42 Ca -0.17 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 2b7t n VAL 42 Cb 0.52 0.89 0.00 0.00 -1.06 0.00 0.00 33.84 34.19 2b7t n VAL 42 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2b7t n ASN 43 N -1.17 0.00 0.00 6.55 5.15 -1.26 -4.98 115.26 119.55 2b7t n ASN 43 Ca 0.00 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 2b7t n ASN 43 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2b7t n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b7t n GLY 44 N 0.00 0.95 2.97 8.20 0.00 -1.26 -5.12 105.19 110.93 2b7t n GLY 44 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2b7t n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2b7t s GLN 45 N 0.00 0.45 -0.08 1.61 0.00 -1.26 -5.15 119.66 115.24 2b7t s GLN 45 Ca 0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 55.36 55.07 2b7t s GLN 45 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 33.01 32.56 2b7t s GLN 45 CO 0.00 0.11 0.05 0.14 0.00 0.00 0.00 175.29 175.59 2b7t s VAL 46 N -0.27 4.66 -0.14 3.63 -7.23 -1.26 -1.99 120.40 117.80 2b7t s VAL 46 Ca 0.01 -0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 2b7t s VAL 46 Cb -0.03 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.92 2b7t s VAL 46 CO -0.00 0.56 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.83 2b7t s PHE 47 N -0.97 2.23 -0.20 2.82 0.40 0.49 -4.87 117.98 117.88 2b7t s PHE 47 Ca 0.15 -1.19 -0.09 0.00 -0.60 0.00 0.00 56.93 55.20 2b7t s PHE 47 Cb -0.12 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 2b7t s PHE 47 CO 0.05 -0.62 0.11 -1.21 0.70 0.00 0.00 175.22 174.25 2b7t s GLU 48 N 1.24 4.08 -0.03 0.44 2.02 -1.26 -0.65 118.70 124.54 2b7t s GLU 48 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 54.97 54.74 2b7t s GLU 48 Cb -0.14 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.73 2b7t s GLU 48 CO -0.07 0.24 -0.11 0.20 0.02 0.00 0.00 175.26 175.53 2b7t s GLY 49 N 0.51 0.62 -0.18 -1.39 0.00 -0.36 -4.74 107.32 101.79 2b7t s GLY 49 Ca 0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 2b7t s GLY 49 CO -0.00 -0.18 0.05 -0.56 0.00 0.00 0.00 173.10 172.41 2b7t s SER 50 N 0.11 5.49 0.02 1.64 0.01 -1.26 -1.23 113.70 118.48 2b7t s SER 50 Ca -0.02 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2b7t s SER 50 Cb -0.09 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 2b7t s SER 50 CO 0.01 0.17 -0.03 -0.83 0.41 0.00 0.00 173.24 172.97 2b7t s GLY 51 N 0.38 0.22 0.00 3.44 0.00 -0.34 -4.62 107.32 106.41 2b7t s GLY 51 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2b7t s GLY 51 CO 0.01 -0.56 0.26 -1.55 0.00 0.00 0.00 173.10 171.26 2b7t n PRO 52 N 1.86 0.34 -3.64 2.90 -0.04 -1.26 -1.46 135.00 133.70 2b7t n PRO 52 Ca -0.22 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.20 2b7t n PRO 52 Cb 0.56 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2b7t n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2b7t s THR 53 N -0.17 0.00 0.49 0.52 -1.32 -1.22 -4.62 115.64 109.31 2b7t s THR 53 Ca 0.00 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 2b7t s THR 53 Cb 0.00 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.40 2b7t s THR 53 CO 0.00 0.00 1.92 0.07 -2.21 0.00 0.00 174.62 174.40 2b7t h LYS 54 N 3.10 0.17 0.00 7.08 -0.00 -1.89 -0.05 116.57 124.98 2b7t h LYS 54 Ca -0.23 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.65 60.32 2b7t h LYS 54 Cb 1.19 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.37 2b7t h LYS 54 CO 0.18 0.11 -0.40 0.87 -0.00 0.00 0.00 179.45 180.21 2b7t h LYS 55 N 0.18 0.00 0.06 0.07 1.57 -1.97 -1.15 116.57 115.32 2b7t h LYS 55 Ca 0.38 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.86 2b7t h LYS 55 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 2b7t h LYS 55 CO -0.07 0.40 -1.58 -0.22 -0.57 0.00 0.00 179.45 177.42 2b7t h LYS 56 N 0.00 0.12 0.67 3.15 3.64 -1.47 -2.99 116.57 119.69 2b7t h LYS 56 Ca -0.00 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2b7t h LYS 56 Cb 0.87 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2b7t h LYS 56 CO 0.05 0.87 -0.37 0.00 -2.27 0.00 0.00 179.45 177.74 2b7t h ALA 57 N 0.71 -0.98 -0.99 5.00 0.00 -0.95 0.18 119.26 122.23 2b7t h ALA 57 Ca -0.25 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.56 2b7t h ALA 57 Cb 1.98 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 20.13 2b7t h ALA 57 CO 0.12 -1.06 0.63 1.57 0.00 0.00 0.00 179.25 180.51 2b7t h LYS 58 N -0.97 1.03 0.08 0.00 5.09 -1.38 -0.52 116.57 119.90 2b7t h LYS 58 Ca -0.09 -0.06 0.02 0.00 0.09 0.00 0.00 60.65 60.61 2b7t h LYS 58 Cb 0.76 -0.23 -0.04 0.00 0.10 0.00 0.00 32.23 32.83 2b7t h LYS 58 CO 0.12 0.68 -0.25 1.25 -2.09 0.00 0.00 179.45 179.16 2b7t h LEU 59 N 1.06 -0.71 -0.32 7.07 6.46 -1.36 -0.36 115.31 127.14 2b7t h LEU 59 Ca 0.46 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 58.36 2b7t h LEU 59 Cb 0.35 0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 2b7t h LEU 59 CO -0.21 -0.33 0.01 -0.74 -0.62 0.00 0.00 178.44 176.55 2b7t h HIS 60 N -0.43 -0.00 0.34 1.25 2.76 -0.40 0.21 115.15 118.88 2b7t h HIS 60 Ca 0.04 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2b7t h HIS 60 Cb 0.47 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 2b7t h HIS 60 CO -0.25 -0.05 -0.48 0.00 -1.30 0.00 0.00 177.93 175.85 2b7t h ALA 61 N 1.27 -1.01 0.03 5.26 0.00 -0.99 -1.83 119.26 122.00 2b7t h ALA 61 Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2b7t h ALA 61 Cb 0.21 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2b7t h ALA 61 CO -0.25 -1.12 -0.16 0.00 0.00 0.00 0.00 179.25 177.72 2b7t h ALA 62 N -0.62 -0.21 0.16 0.00 0.00 -0.79 0.17 119.26 117.97 2b7t h ALA 62 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b7t h ALA 62 Cb 0.80 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2b7t h ALA 62 CO -0.15 -0.66 -0.41 1.49 0.00 0.00 0.00 179.25 179.52 2b7t h GLU 63 N -0.28 -0.62 -0.24 0.00 4.81 -0.53 -1.12 114.58 116.61 2b7t h GLU 63 Ca 0.04 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2b7t h GLU 63 Cb 0.32 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2b7t h GLU 63 CO -0.13 -0.41 -0.02 -0.22 -0.73 0.00 0.00 179.01 177.50 2b7t h LYS 64 N -0.64 0.05 -0.16 1.92 3.64 -1.38 -2.11 116.57 117.88 2b7t h LYS 64 Ca -0.02 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2b7t h LYS 64 Cb 0.62 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 2b7t h LYS 64 CO -0.19 0.03 -0.45 0.00 -2.27 0.00 0.00 179.45 176.57 2b7t h ALA 65 N 1.22 -0.79 -0.36 5.00 0.00 0.24 0.43 119.26 125.00 2b7t h ALA 65 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2b7t h ALA 65 Cb 0.16 0.97 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2b7t h ALA 65 CO -0.21 -0.97 -0.26 1.25 0.00 0.00 0.00 179.25 179.06 2b7t h LEU 66 N -0.45 0.75 0.23 0.00 6.46 -1.31 -0.62 115.31 120.37 2b7t h LEU 66 Ca 0.03 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2b7t h LEU 66 Cb 0.55 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2b7t h LEU 66 CO -0.39 0.97 -0.34 -0.09 -0.62 0.00 0.00 178.44 177.98 2b7t h ARG 67 N 0.63 -0.61 -0.54 1.25 1.12 -0.61 -0.52 114.38 115.10 2b7t h ARG 67 Ca 0.08 0.04 0.08 0.00 -1.11 0.00 0.00 59.98 59.07 2b7t h ARG 67 Cb 0.77 0.14 -0.06 0.00 -0.01 0.00 0.00 29.97 30.80 2b7t h ARG 67 CO 0.06 -0.41 0.19 0.77 -3.11 0.00 0.00 179.97 177.47 2b7t h SER 68 N -0.63 0.17 -0.41 -3.80 0.02 -0.19 0.61 113.55 109.32 2b7t h SER 68 Ca 0.00 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2b7t h SER 68 Cb 0.61 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 2b7t h SER 68 CO -0.13 0.12 0.26 0.15 -1.14 0.00 0.00 176.83 176.09 2b7t h PHE 69 N 0.36 0.54 0.23 3.45 3.57 -0.96 -3.09 116.94 121.03 2b7t h PHE 69 Ca 0.26 0.01 -0.34 0.00 3.53 0.00 0.00 57.97 61.43 2b7t h PHE 69 Cb 0.31 -0.18 0.03 0.00 2.79 0.00 0.00 35.95 38.89 2b7t h PHE 69 CO -0.17 0.36 -1.55 0.28 -2.23 0.00 0.00 178.31 175.00 2b7t h VAL 70 N 0.58 1.19 -2.75 1.41 2.07 -0.31 -3.47 116.25 114.97 2b7t h VAL 70 Ca 0.15 -2.67 -0.13 0.00 0.82 0.00 0.00 66.70 64.87 2b7t h VAL 70 Cb -0.03 2.96 -0.26 0.00 -1.52 0.00 0.00 31.29 32.44 2b7t h VAL 70 CO -0.03 0.83 -0.30 0.00 0.02 0.00 0.00 177.57 178.09 2b7t s GLN 71 N -2.60 0.40 0.27 1.57 1.03 0.13 -5.11 119.66 115.36 2b7t s GLN 71 Ca -0.11 0.65 0.08 0.00 0.04 0.00 0.00 55.36 56.02 2b7t s GLN 71 Cb 0.05 0.08 -0.05 0.00 0.03 0.00 0.00 33.01 33.11 2b7t s GLN 71 CO 0.92 -0.11 -0.11 -0.59 -2.54 0.00 0.00 175.29 172.86 2b7t s PHE 72 N 0.82 2.01 -2.00 9.60 -0.12 -1.21 -3.67 117.98 123.42 2b7t s PHE 72 Ca -0.05 -0.57 0.18 0.00 -0.05 0.00 0.00 56.93 56.43 2b7t s PHE 72 Cb -0.06 -1.04 1.05 0.00 -0.63 0.00 0.00 43.02 42.34 2b7t s PHE 72 CO -0.06 0.42 1.45 -0.35 -0.05 0.00 0.00 175.22 176.63